6-chloranyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(6-pyrrolidin-1-yl-3-pyridyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[6-(1-pyrrolidinyl)-3-pyridinyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(6-pyrrolidin-1-ylpyridin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(6-pyrrolidino-3-pyridyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C19H20ClN3O3/c20-15-10-13(11-16-18(15)26-9-3-8-25-16)19(24)22-14-4-5-17(21-12-14)23-6-1-2-7-23/h4-5,10-12H,1-3,6-9H2,(H,22,24)